SCHEMBL924544

SCHEMBL924544

Cc1ccc(S(=O)(=O)N2CC3OC3C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.58
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6664732 0.86 PKM (0.58) PKMHTTALDH1A1POLBMEN1
SCHEMBL18769554 0.84 POLB (0.49) PKMHTTALDH1A1POLBMEN1
SCHEMBL19264969 0.84 SMN1; SMN2 (0.60) PKMHTTALDH1A1POLBKMT2A
SCHEMBL12169336 0.84 SMN1; SMN2 (0.60) PKMHTTALDH1A1POLBKMT2A
SCHEMBL31629999 0.81 PKM (0.61) PKMHTTALDH1A1POLBMEN1
SCHEMBL12330364 0.81 PKM (0.61) PKMHTTALDH1A1POLBMEN1
SCHEMBL13229554 0.81 CYP2C9 (0.53) PKMALDH1A1POLBMEN1KMT2A
SCHEMBL29657316 0.81 PKM (0.61) PKMHTTALDH1A1POLBMEN1
SCHEMBL16019510 0.81 MEN1 (0.62) PKMHTTALDH1A1POLBMEN1
SCHEMBL21510196 0.80 PKM (0.59) PKMHTTALDH1A1POLBMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
EP-2242741-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-27 EP disclosed
WO-2009100827-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 WO disclosed
US-6432948-B1 ANTIULCER AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
EP-0946176-B1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO 4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AG (DE) 2002-03-27 EP disclosed
US-6133260-A Use of 7-(2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-quinolone carboxylic acid and naphthyridon carboxylic acid derivatives for the treatment of Helicobacter pylori infections and associated gastroduodenal diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 PKM 34/4885HTT 2775/4885ALDH1A1 1899/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.